N-[(4-fluorophenyl)methyl]-4-(2-thiophen-2-ylethyl)piperazin-4-ium-1-carbothioamide

Systemtic Name: N-[(4-fluorophenyl)methyl]-4-(2-thiophen-2-ylethyl)piperazin-4-ium-1-carbothioamide Openeye Name: N-[(4-fluorophenyl)methyl]-4-[2-(2-thienyl)ethyl]piperazin-4-ium-1-carbothioamide CAS Name: N-[(4-fluorophenyl)methyl]-4-(2-thiophen-2-ylethyl)-1-piperazin-4-iumcarbothioamide IUPAC Name: N-[(4-fluorophenyl)methyl]-4-(2-thiophen-2-ylethyl)piperazin-4-ium-1-carbothioamide Traditional Name: N-(4-fluorobenzyl)-4-[2-(2-thienyl)ethyl]piperazin-4-ium-1-carbothioamide Formula: C18H23FN3S2+ MolecularWeight: 364.523723

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1CCC2=CC=CS2)C(=S)NCC3=CC=C(C=C3)F

Isomeric SMILES

C1CN(CC[NH+]1CCC2=CC=CS2)C(=S)NCC3=CC=C(C=C3)F

InChI

InChI=1S/C18H22FN3S2/c19-16-5-3-15(4-6-16)14-20-18(23)22-11-9-21(10-12-22)8-7-17-2-1-13-24-17/h1-6,13H,7-12,14H2,(H,20,23)/p+1